Itx-5061
기본 정보
- CAS
1252679-52-9- 표준 SMILES
COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O.Cl- InChIKey
ICIJBYYMEBOTQP-UHFFFAOYSA-N- 분자식
- C30H38ClN3O7S
- 평균 분자량
- 620.2 g/mol
- 단동위원소 질량
- 619.2118994
개요
KC706 is a novel anti-inflammatory drug that works by inhibiting the activity of p38 MAP kinase. KC706 holds potential to treat inflammatory conditions such as rheumatoid arthritis, psoriasis, inflammatory bowel disease and cardiovascular disease.
이름 및 식별자
- 우선 이름
- Itx-5061
- IUPAC
- N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide;hydrochloride
- 영어명
- ITX-5061 HCl
- 분자식
- C30H38ClN3O7S
- 분자량
- 620.16
이름 및 동의어
ITX50611252679-52-9ITX-5061ITX 5061J4RA8K2Q2AKC706KC-706RefChem:1502351-Naphthaleneacetamide, N-(5-(1,1-dimethylethyl)-2-methoxy-3-((methylsulfonyl)amino)phenyl)-4-(2-(4-morpholinyl)ethoxy)-alpha-oxo-, hydrochloride (1:1)UNII-J4RA8K2Q2AN-(5-(tert-butyl)-2-methoxy-3-(methylsulfonamido)phenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide hydrochlorideN-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide;hydrochloride
이름 더 보기
ITX506 HClITX-5061 HClITX-5061 hydrochlorideITX-5061 hydrochloride (ITX5061)N-(5-(tert-Butyl)-2-methoxy-3-(methylsulfonamido)phenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide hydrochloride , ITX5061
1-Naphthaleneacetamide, N-(5-(1,1-dimethylethyl)-2-methoxy-3- ((methylsulfonyl)amino)phenyl)-4-(2-(4-morpholinyl)ethoxy)-alpha-oxo-, hydrochloride (1:1)MFCD30532738C30H38ClN3O7Sorb1707167CHEMBL3402567SCHEMBL29437767GLXC-15672CAC67952
물성
구조 계산 물성
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 989
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 83.3 mg/mL · DMSO : ≥ 83.3 mg/mL (134.32 mM)
- 물리적 상태
- Solid
- 색상
- Light yellow to light brown
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
약리 정보
PharmacodynamicsKC706 has been demonstrated to be truly disease-modifying: it stops the destruction of joint tissue that is the underlying disease pathology in rheumatoid arthritis.
Mechanism of Action
KC706 is a novel anti-inflammatory drug that works by inhibiting the activity of p38 MAP kinase. p38 MAP kinase is a key component of the signaling pathway that regulates the body's production of inflammatory mediators, including TNFα and IL-1 beta. It has been demonstrated to be truly disease-modifying: it stops the destruction of joint tissue that is the underlying disease pathology in rheumatoid arthritis.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…